N-(4-methoxy-2-methylphenyl)-1H-imidazol-2-amine

C11H13N3O — CID 10198135

IUPACN-(4-methoxy-2-methylphenyl)-1H-imidazol-2-amine
SMILESCOc1ccc(Nc2ncc[nH]2)c(C)c1
InChIInChI=1S/C11H13N3O/c1-8-7-9(15-2)3-4-10(8)14-11-12-5-6-13-11/h3-7H,1-2H3,(H2,12,13,14)
InChIKeyBEAKKNUWBXQLLR-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.47
Rot. Bonds3

About N-(4-methoxy-2-methylphenyl)-1H-imidazol-2-amine

N-(4-methoxy-2-methylphenyl)-1H-imidazol-2-amine (PubChem CID 10198135) has the molecular formula C11H13N3O and a molecular weight of 203.24 g/mol. Its IUPAC name is N-(4-methoxy-2-methylphenyl)-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-(4-methoxy-2-methylphenyl)-1H-imidazol-2-amine
PubChem CID10198135
Molecular FormulaC11H13N3O
Molecular Weight203.24 g/mol
Exact Mass203.11
IUPAC NameN-(4-methoxy-2-methylphenyl)-1H-imidazol-2-amine
SMILESCOc1ccc(Nc2ncc[nH]2)c(C)c1
InChIInChI=1S/C11H13N3O/c1-8-7-9(15-2)3-4-10(8)14-11-12-5-6-13-11/h3-7H,1-2H3,(H2,12,13,14)
InChIKeyBEAKKNUWBXQLLR-UHFFFAOYSA-N
XLogP2.47
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-2-methylphenyl)-1H-imidazol-2-amine?
The IUPAC name of N-(4-methoxy-2-methylphenyl)-1H-imidazol-2-amine (CID 10198135) is N-(4-methoxy-2-methylphenyl)-1H-imidazol-2-amine.
What is the SMILES notation for N-(4-methoxy-2-methylphenyl)-1H-imidazol-2-amine?
The canonical SMILES for N-(4-methoxy-2-methylphenyl)-1H-imidazol-2-amine is COc1ccc(Nc2ncc[nH]2)c(C)c1.
What is the InChIKey of N-(4-methoxy-2-methylphenyl)-1H-imidazol-2-amine?
The InChIKey is BEAKKNUWBXQLLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-8-7-9(15-2)3-4-10(8)14-11-12-5-6-13-11/h3-7H,1-2H3,(H2,12,13,14).
What are the key properties of N-(4-methoxy-2-methylphenyl)-1H-imidazol-2-amine?
N-(4-methoxy-2-methylphenyl)-1H-imidazol-2-amine has a molecular weight of 203.24 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-2-methylphenyl)-1H-imidazol-2-amine is sourced from PubChem (CID 10198135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).